5-(4-chlorobutyl)-2,3-dihydro-1H-indene

C13H17Cl — CID 64514679

IUPAC5-(4-chlorobutyl)-2,3-dihydro-1H-indene
SMILESClCCCCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17Cl/c14-9-2-1-4-11-7-8-12-5-3-6-13(12)10-11/h7-8,10H,1-6,9H2
InChIKeyANOUHTMXXLGAJH-UHFFFAOYSA-N
MW208.73 g/mol
LogP3.74
Rot. Bonds4

About 5-(4-chlorobutyl)-2,3-dihydro-1H-indene

5-(4-chlorobutyl)-2,3-dihydro-1H-indene (PubChem CID 64514679) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 5-(4-chlorobutyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(4-chlorobutyl)-2,3-dihydro-1H-indene
PubChem CID64514679
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name5-(4-chlorobutyl)-2,3-dihydro-1H-indene
SMILESClCCCCc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17Cl/c14-9-2-1-4-11-7-8-12-5-3-6-13(12)10-11/h7-8,10H,1-6,9H2
InChIKeyANOUHTMXXLGAJH-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
CID 147061074
CID 147061074
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobutyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(4-chlorobutyl)-2,3-dihydro-1H-indene (CID 64514679) is 5-(4-chlorobutyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(4-chlorobutyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(4-chlorobutyl)-2,3-dihydro-1H-indene is ClCCCCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-(4-chlorobutyl)-2,3-dihydro-1H-indene?
The InChIKey is ANOUHTMXXLGAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c14-9-2-1-4-11-7-8-12-5-3-6-13(12)10-11/h7-8,10H,1-6,9H2.
What are the key properties of 5-(4-chlorobutyl)-2,3-dihydro-1H-indene?
5-(4-chlorobutyl)-2,3-dihydro-1H-indene has a molecular weight of 208.73 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobutyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 64514679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).